1-[(4-Isothiocyanatophenyl)methyl]-1H-1,2,4-triazole

CAS Registry Number®

887405-48-3

CAS Name

1-[(4-Isothiocyanatophenyl)methyl]-1H-1,2,4-triazole

Molecular Formula

C10H8N4S

Molecular Mass

216.26

Cite this Page

1-[(4-Isothiocyanatophenyl)methyl]-1H-1,2,4-triazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=887405-48-3 (retrieved 2024-11-26) (CAS RN: 887405-48-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C10H8N4S/c15-8-12-10-3-1-9(2-4-10)5-14-7-11-6-13-14/h1-4,6-7H,5H2

InChIKey

InChIKey=MLLIBSFJKAJHKD-UHFFFAOYSA-N

SMILES

C(C1=CC=C(N=C=S)C=C1)N2C=NC=N2

Canonical SMILES

S=C=NC1=CC=C(C=C1)CN2N=CN=C2

Other Names for this Substance

  • 1H-1,2,4-Triazole, 1-[(4-isothiocyanatophenyl)methyl]-
  • 1-[(4-Isothiocyanatophenyl)methyl]-1H-1,2,4-triazole

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